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2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N-phenylhydrazinecarbothioamide

View entire compound with spectra: 2 NMR

2-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N-phenylhydrazinecarbothioamide
SpectraBase Compound ID KjfvU8aHWBF
InChI InChI=1S/C14H16BrN5OS/c1-9-13(15)10(2)20(19-9)8-12(21)17-18-14(22)16-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,17,21)(H2,16,18,22)
InChIKey ANRPVKYKYLFGPK-UHFFFAOYSA-N
Mol Weight 382.28 g/mol
Molecular Formula C14H16BrN5OS
Exact Mass 381.025894 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kz2CKTVMlO
Name 2-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N-phenylhydrazinecarbothioamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.025894328 u
Formula C14H16BrN5OS
InChI InChI=1S/C14H16BrN5OS/c1-9-13(15)10(2)20(19-9)8-12(21)17-18-14(22)16-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,17,21)(H2,16,18,22)
InChIKey ANRPVKYKYLFGPK-UHFFFAOYSA-N
Molecular Weight 382.280 g/mol
SMILES N(NC(NC1=CC=CC=C1)=S)C(CN1N=C(C)C(=C1C)Br)=O